N-[3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide

Systemtic Name: N-[3-(3-carbamimidoylphenyl)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide Openeye Name: N-[1-[(3-carbamimidoylphenyl)methyl]-2-oxo-2-piperazin-1-yl-ethyl]-2-(2-naphthylsulfonylamino)acetamide CAS Name: N-[3-(3-carbamimidoylphenyl)-1-oxo-1-(1-piperazinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)acetamide IUPAC Name: N-[3-(3-carbamimidoylphenyl)-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide Traditional Name: N-[1-(3-amidinobenzyl)-2-keto-2-piperazino-ethyl]-2-(2-naphthylsulfonylamino)acetamide Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1)C(=O)C(CC2=CC=CC(=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H30N6O4S/c27-25(28)21-7-3-4-18(14-21)15-23(26(34)32-12-10-29-11-13-32)31-24(33)17-30-37(35,36)22-9-8-19-5-1-2-6-20(19)16-22/h1-9,14,16,23,29-30H,10-13,15,17H2,(H3,27,28)(H,31,33)